CAS
2519-61-1 Purity
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2519-61-1 Purity
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Specification
The molecular formula is C10H6F3NO3.
The molecular weight is 245.15 g/mol.
The IUPAC name is 4-(trifluoromethoxy)-1H-indole-2-carboxylic acid.
The InChI key is NXLKLROWBALFPC-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC2=C(C=C(N2)C(=O)O)C(=C1)OC(F)(F)F.
There are 2 hydrogen bond donor counts.
The topological polar surface area is 62.3 Ų.
There are 2 rotatable bond counts.
Yes, it is a canonicalized compound.
It was created on 2007-11-13 and last modified on 2023-12-30.